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]+ 230.17508 154.2
[M+Na]+ 252.15702 161.0
[M-H]- 228.16052 157.2
[M+NH4]+ 247.20162 168.9
[M+K]+ 268.13096 159.3
[M+H-H2O]+ 212.16506 149.9
[M+HCOO]- 274.16600 174.1
[M+CH3COO]- 288.18165 192.6
[M+Na-2H]- 250.14247 159.5
[M]+ 229.16725 159.2
[M]- 229.16835 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.