CID 14293943

120616-07-1

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)NC1(CC1)CCCO
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-11(6-7-11)5-4-8-13/h13H,4-8H2,1-3H3,(H,12,14)
InChIKey
WOTDZVWLDXPWNN-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-hydroxypropyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

215.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 150.1
[M+Na]+ 238.14137 157.3
[M-H]- 214.14487 153.3
[M+NH4]+ 233.18597 165.3
[M+K]+ 254.11531 155.8
[M+H-H2O]+ 198.14941 145.9
[M+HCOO]- 260.15035 170.3
[M+CH3COO]- 274.16600 189.7
[M+Na-2H]- 236.12682 155.9
[M]+ 215.15160 154.7
[M]- 215.15270 154.7
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

patents stripe