CID 13369

2-chloroethylammonium chloride

Structural Information

Molecular Formula
C2H6ClN
SMILES
C(CCl)N
InChI
InChI=1S/C2H6ClN/c3-1-2-4/h1-2,4H2
InChIKey
VKPPFDPXZWFDFA-UHFFFAOYSA-N
Compound name
2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

166
References

8254
Patents

79.018875 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 80.026151 110.9
[M+Na]+ 102.00809 119.6
[M-H]- 78.011599 111.0
[M+NH4]+ 97.052698 135.4
[M+K]+ 117.98203 117.9
[M+H-H2O]+ 62.016135 108.0
[M+HCOO]- 124.01708 131.8
[M+CH3COO]- 138.03273 163.1
[M+Na-2H]- 99.993541 118.8
[M]+ 79.018326 110.5
[M]- 79.019424 110.5
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