CID 10909733

88090-11-3

Structural Information

Molecular Formula
C7H16ClN
SMILES
CCCCNCCCCl
InChI
InChI=1S/C7H16ClN/c1-2-3-6-9-7-4-5-8/h9H,2-7H2,1H3
InChIKey
NEIFFYIKZKMFII-UHFFFAOYSA-N
Compound name
N-(3-chloropropyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

149.09712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10440 133.7
[M+Na]+ 172.08634 140.4
[M-H]- 148.08984 133.5
[M+NH4]+ 167.13094 155.8
[M+K]+ 188.06028 137.7
[M+H-H2O]+ 132.09438 129.7
[M+HCOO]- 194.09532 153.6
[M+CH3COO]- 208.11097 179.0
[M+Na-2H]- 170.07179 140.0
[M]+ 149.09657 136.3
[M]- 149.09767 136.3
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