CID 20644

N-(2-chloroethyl)dicyclohexylamine hydrochloride

Structural Information

Molecular Formula
C14H26ClN
SMILES
C1CCC(CC1)N(CCCl)C2CCCCC2
InChI
InChI=1S/C14H26ClN/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKey
IUHGQAVEFDOGBX-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-cyclohexylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.17538 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18266 161.0
[M+Na]+ 266.16460 161.3
[M-H]- 242.16810 166.0
[M+NH4]+ 261.20920 178.5
[M+K]+ 282.13854 158.0
[M+H-H2O]+ 226.17264 153.6
[M+HCOO]- 288.17358 173.5
[M+CH3COO]- 302.18923 196.3
[M+Na-2H]- 264.15005 161.7
[M]+ 243.17483 153.9
[M]- 243.17593 153.9
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