CID 18400

3,3-dimethyl-1-butanol carbamate

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)(C)CCOC(=O)N
InChI
InChI=1S/C7H15NO2/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKey
DOBPAXBDQAYQMF-UHFFFAOYSA-N
Compound name
3,3-dimethylbutyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

145.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.0
[M+Na]+ 168.099498 139.7
[M-H]- 144.103004 133.1
[M+NH4]+ 163.144103 154.3
[M+K]+ 184.073438 140.0
[M+H-H2O]+ 128.107540 128.7
[M+HCOO]- 190.108481 155.1
[M+CH3COO]- 204.124131 177.1
[M+Na-2H]- 166.084946 138.2
[M]+ 145.10973142 133.8
[M]- 145.11082858 133.8
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