CID 55303429

(3-chloropropyl)(prop-2-en-1-yl)amine hydrochloride

Structural Information

Molecular Formula
C6H12ClN
SMILES
C=CCNCCCCl
InChI
InChI=1S/C6H12ClN/c1-2-5-8-6-3-4-7/h2,8H,1,3-6H2
InChIKey
CKDSHTCVVQWHSF-UHFFFAOYSA-N
Compound name
3-chloro-N-prop-2-enylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

133.06583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07311 127.8
[M+Na]+ 156.05505 135.2
[M-H]- 132.05855 127.8
[M+NH4]+ 151.09965 150.4
[M+K]+ 172.02899 132.1
[M+H-H2O]+ 116.06309 124.1
[M+HCOO]- 178.06403 148.2
[M+CH3COO]- 192.07968 175.0
[M+Na-2H]- 154.04050 134.6
[M]+ 133.06528 129.3
[M]- 133.06638 129.3
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