CID 33436

N-chloroisopropylamine

Structural Information

Molecular Formula
C3H8ClN
SMILES
CC(C)NCl
InChI
InChI=1S/C3H8ClN/c1-3(2)5-4/h3,5H,1-2H3
InChIKey
IVXCVROGNYFLEO-UHFFFAOYSA-N
Compound name
N-chloropropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

93.03453 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.041806 115.5
[M+Na]+ 116.02375 123.6
[M-H]- 92.027254 116.2
[M+NH4]+ 111.06835 139.7
[M+K]+ 131.99769 122.4
[M+H-H2O]+ 76.031790 112.4
[M+HCOO]- 138.03273 135.7
[M+CH3COO]- 152.04838 167.7
[M+Na-2H]- 114.00920 122.7
[M]+ 93.033981 115.9
[M]- 93.035079 115.9
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