CID 130014699

Tert-butyl n-(3-cyclopropyl-3-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)NCCC(C1CC1)O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-6-9(13)8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKey
SXQOSAHWFZMXKK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyclopropyl-3-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 149.1
[M+Na]+ 238.14137 155.4
[M-H]- 214.14487 152.1
[M+NH4]+ 233.18597 162.3
[M+K]+ 254.11531 153.3
[M+H-H2O]+ 198.14941 143.6
[M+HCOO]- 260.15035 168.8
[M+CH3COO]- 274.16600 191.0
[M+Na-2H]- 236.12682 152.6
[M]+ 215.15160 152.7
[M]- 215.15270 152.7
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.