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

31
Patents

215.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 150.1
[M+Na]+ 238.141368 157.3
[M-H]- 214.144874 153.3
[M+NH4]+ 233.185973 165.3
[M+K]+ 254.115308 155.8
[M+H-H2O]+ 198.149410 145.9
[M+HCOO]- 260.150351 170.3
[M+CH3COO]- 274.166001 189.7
[M+Na-2H]- 236.126816 155.9
[M]+ 215.15160142 154.7
[M]- 215.15269858 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