CID 20299789

(1-methylcyclobutyl)methanamine

Structural Information

Molecular Formula
C6H13N
SMILES
CC1(CCC1)CN
InChI
InChI=1S/C6H13N/c1-6(5-7)3-2-4-6/h2-5,7H2,1H3
InChIKey
NZBCGJVYSMLKRN-UHFFFAOYSA-N
Compound name
(1-methylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

99.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 121.3
[M+Na]+ 122.094018 127.0
[M-H]- 98.097524 124.7
[M+NH4]+ 117.138623 139.6
[M+K]+ 138.067958 129.3
[M+H-H2O]+ 82.102060 112.6
[M+HCOO]- 144.103001 143.8
[M+CH3COO]- 158.118651 172.5
[M+Na-2H]- 120.079466 128.3
[M]+ 99.10425142 126.9
[M]- 99.10534858 126.9
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