CID 66918

104-77-8

Structural Information

Molecular Formula
C7H16ClN
SMILES
CCN(CC)CCCCl
InChI
InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3
InChIKey
WVUULNDRFBHTFG-UHFFFAOYSA-N
Compound name
3-chloro-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

783
Patents

149.09712 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10440 133.7
[M+Na]+ 172.08634 140.6
[M-H]- 148.08984 135.1
[M+NH4]+ 167.13094 156.4
[M+K]+ 188.06028 139.3
[M+H-H2O]+ 132.09438 129.5
[M+HCOO]- 194.09532 154.1
[M+CH3COO]- 208.11097 182.6
[M+Na-2H]- 170.07179 139.2
[M]+ 149.09657 137.6
[M]- 149.09767 137.6
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