CID 49757579

Tert-butyl n-(cyclopropylmethyl)carbamate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)OC(=O)NCC1CC1
InChI
InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)10-6-7-4-5-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
ZPOIEEISPMGDRW-UHFFFAOYSA-N
Compound name
tert-butyl N-(cyclopropylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

171.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.0
[M+Na]+ 194.11515 146.8
[M-H]- 170.11865 143.6
[M+NH4]+ 189.15975 154.7
[M+K]+ 210.08909 145.3
[M+H-H2O]+ 154.12319 133.4
[M+HCOO]- 216.12413 161.4
[M+CH3COO]- 230.13978 184.9
[M+Na-2H]- 192.10060 144.8
[M]+ 171.12538 142.7
[M]- 171.12648 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe