CID 165940966

Tert-butyl n-{[1-(3-hydroxypropyl)cyclopropyl]methyl}carbamate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)OC(=O)NCC1(CC1)CCCO
InChI
InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-9-12(6-7-12)5-4-8-14/h14H,4-9H2,1-3H3,(H,13,15)
InChIKey
FQYQBRMCCQCCOF-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(3-hydroxypropyl)cyclopropyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 154.2
[M+Na]+ 252.157018 161.0
[M-H]- 228.160524 157.2
[M+NH4]+ 247.201623 168.9
[M+K]+ 268.130958 159.3
[M+H-H2O]+ 212.165060 149.9
[M+HCOO]- 274.166001 174.1
[M+CH3COO]- 288.181651 192.6
[M+Na-2H]- 250.142466 159.5
[M]+ 229.16725142 159.2
[M]- 229.16834858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.