CID 69498345

1,3-dimethylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H13N
SMILES
CC1CC(C1)(C)N
InChI
InChI=1S/C6H13N/c1-5-3-6(2,7)4-5/h5H,3-4,7H2,1-2H3
InChIKey
ZWMRWMKTTMIHRM-UHFFFAOYSA-N
Compound name
1,3-dimethylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

99.1048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 121.1
[M+Na]+ 122.094018 127.6
[M-H]- 98.097524 124.8
[M+NH4]+ 117.138623 139.6
[M+K]+ 138.067958 130.0
[M+H-H2O]+ 82.102060 112.6
[M+HCOO]- 144.103001 143.5
[M+CH3COO]- 158.118651 173.6
[M+Na-2H]- 120.079466 127.4
[M]+ 99.10425142 127.0
[M]- 99.10534858 127.0
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