CID 15533537

3-chloroazetidine hydrochloride

Structural Information

Molecular Formula
C3H6ClN
SMILES
C1C(CN1)Cl
InChI
InChI=1S/C3H6ClN/c4-3-1-5-2-3/h3,5H,1-2H2
InChIKey
GAXJNXCLEVZPFX-UHFFFAOYSA-N
Compound name
3-chloroazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

91.018875 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.026151 108.7
[M+Na]+ 114.00809 116.3
[M-H]- 90.011599 109.4
[M+NH4]+ 109.05270 124.8
[M+K]+ 129.98203 116.6
[M+H-H2O]+ 74.016135 99.9
[M+HCOO]- 136.01708 124.8
[M+CH3COO]- 150.03273 164.0
[M+Na-2H]- 111.99354 116.7
[M]+ 91.018326 115.0
[M]- 91.019424 115.0
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