CID 102482

2-chloropropyl(diethyl)amine

Structural Information

Molecular Formula
C7H16ClN
SMILES
CCN(CC)CC(C)Cl
InChI
InChI=1S/C7H16ClN/c1-4-9(5-2)6-7(3)8/h7H,4-6H2,1-3H3
InChIKey
QOHJWGXVMZSTAZ-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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 133.9
[M+Na]+ 172.08634 140.6
[M-H]- 148.08984 135.4
[M+NH4]+ 167.13094 156.6
[M+K]+ 188.06028 139.7
[M+H-H2O]+ 132.09438 129.8
[M+HCOO]- 194.09532 153.4
[M+CH3COO]- 208.11097 183.4
[M+Na-2H]- 170.07179 138.2
[M]+ 149.09657 137.2
[M]- 149.09767 137.2
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