CID 66960

1-propanamine, 3-chloro-n,n-dimethyl-

Structural Information

Molecular Formula
C5H12ClN
SMILES
CN(C)CCCCl
InChI
InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey
NYYRRBOMNHUCLB-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

6190
Patents

121.06583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07311 124.3
[M+Na]+ 144.05505 131.9
[M-H]- 120.05855 126.0
[M+NH4]+ 139.09965 148.1
[M+K]+ 160.02899 131.2
[M+H-H2O]+ 104.06309 120.5
[M+HCOO]- 166.06403 145.3
[M+CH3COO]- 180.07968 176.5
[M+Na-2H]- 142.04050 130.9
[M]+ 121.06528 127.4
[M]- 121.06638 127.4
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