CID 92975

2-propanol, 1-amino-3-chloro-

Structural Information

Molecular Formula
C3H8ClNO
SMILES
C(C(CCl)O)N
InChI
InChI=1S/C3H8ClNO/c4-1-3(6)2-5/h3,6H,1-2,5H2
InChIKey
CYJBWQFWXJKKMS-UHFFFAOYSA-N
Compound name
1-amino-3-chloropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

600
Patents

109.02944 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.03672 119.4
[M+Na]+ 132.01866 127.1
[M-H]- 108.02216 118.0
[M+NH4]+ 127.06326 141.9
[M+K]+ 147.99260 124.9
[M+H-H2O]+ 92.026700 116.3
[M+HCOO]- 154.02764 137.7
[M+CH3COO]- 168.04329 166.2
[M+Na-2H]- 130.00411 124.9
[M]+ 109.02889 118.3
[M]- 109.02999 118.3
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