CID 23091614

49705-19-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe