CID 127005122

2138052-28-3

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CN(C1CC(C1)N)C(=O)OC
InChI
InChI=1S/C7H14N2O2/c1-9(7(10)11-2)6-3-5(8)4-6/h5-6H,3-4,8H2,1-2H3
InChIKey
CGQCRQGYUIRVTC-UHFFFAOYSA-N
Compound name
methyl N-(3-aminocyclobutyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.10553 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 137.2
[M+Na]+ 181.09475 141.1
[M-H]- 157.09825 141.4
[M+NH4]+ 176.13935 151.2
[M+K]+ 197.06869 145.6
[M+H-H2O]+ 141.10279 125.3
[M+HCOO]- 203.10373 160.0
[M+CH3COO]- 217.11938 187.7
[M+Na-2H]- 179.08020 139.5
[M]+ 158.10498 144.6
[M]- 158.10608 144.6
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

No patent data available for this compound.