CID 72207931

1363382-92-6

Structural Information

Molecular Formula
C5H12N2
SMILES
CN1CCC1CN
InChI
InChI=1S/C5H12N2/c1-7-3-2-5(7)4-6/h5H,2-4,6H2,1H3
InChIKey
QVSTZIIJZBVKNK-UHFFFAOYSA-N
Compound name
(1-methylazetidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

100.10005 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 120.6
[M+Na]+ 123.08927 126.7
[M-H]- 99.092774 122.5
[M+NH4]+ 118.13387 135.8
[M+K]+ 139.06321 129.2
[M+H-H2O]+ 83.097310 109.8
[M+HCOO]- 145.09825 142.1
[M+CH3COO]- 159.11390 173.6
[M+Na-2H]- 121.07472 126.4
[M]+ 100.09950 126.4
[M]- 100.10060 126.4
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