CID 15636950

2-(azetidin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H12N2
SMILES
C1CN(C1)CCN
InChI
InChI=1S/C5H12N2/c6-2-5-7-3-1-4-7/h1-6H2
InChIKey
RIHYLJLIMZMKTQ-UHFFFAOYSA-N
Compound name
2-(azetidin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

100.10005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 120.2
[M+Na]+ 123.08927 125.3
[M-H]- 99.092774 121.6
[M+NH4]+ 118.13387 135.0
[M+K]+ 139.06321 127.9
[M+H-H2O]+ 83.097310 109.0
[M+HCOO]- 145.09825 141.6
[M+CH3COO]- 159.11390 172.5
[M+Na-2H]- 121.07472 126.7
[M]+ 100.09950 125.6
[M]- 100.10060 125.6
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