CID 11672972

873437-13-9

Structural Information

Molecular Formula
C11H23NO3
SMILES
CC(C)N(CCCO)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3
InChIKey
LLCYWHXMBXMVAS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

217.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.175076 153.9
[M+Na]+ 240.157018 158.5
[M-H]- 216.160524 153.9
[M+NH4]+ 235.201623 172.5
[M+K]+ 256.130958 159.6
[M+H-H2O]+ 200.165060 148.8
[M+HCOO]- 262.166001 173.6
[M+CH3COO]- 276.181651 193.0
[M+Na-2H]- 238.142466 155.7
[M]+ 217.16725142 157.3
[M]- 217.16834858 157.3
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

patents stripe