CID 29921477

Tert-butyl n-[(1-hydroxycyclopropyl)methyl]carbamate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)NCC1(CC1)O
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-6-9(12)4-5-9/h12H,4-6H2,1-3H3,(H,10,11)
InChIKey
VMVAZNHAQXIGMP-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-hydroxycyclopropyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 141.8
[M+Na]+ 210.11007 149.8
[M-H]- 186.11357 145.3
[M+NH4]+ 205.15467 158.0
[M+K]+ 226.08401 148.7
[M+H-H2O]+ 170.11811 137.9
[M+HCOO]- 232.11905 162.6
[M+CH3COO]- 246.13470 183.9
[M+Na-2H]- 208.09552 148.5
[M]+ 187.12030 145.7
[M]- 187.12140 145.7
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