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]+ 134.073106 127.8
[M+Na]+ 156.055048 135.2
[M-H]- 132.058554 127.8
[M+NH4]+ 151.099653 150.4
[M+K]+ 172.028988 132.1
[M+H-H2O]+ 116.063090 124.1
[M+HCOO]- 178.064031 148.2
[M+CH3COO]- 192.079681 175.0
[M+Na-2H]- 154.040496 134.6
[M]+ 133.06528142 129.3
[M]- 133.06637858 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