CID 91210

Cyclohexanamine, 2-[(4-aminocyclohexyl)methyl]-

Structural Information

Molecular Formula
C13H26N2
SMILES
C1CCC(C(C1)CC2CCC(CC2)N)N
InChI
InChI=1S/C13H26N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h10-13H,1-9,14-15H2
InChIKey
NVNXODWZSQEWSM-UHFFFAOYSA-N
Compound name
2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

714
Patents

210.2096 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.21688 152.6
[M+Na]+ 233.19882 153.7
[M-H]- 209.20232 156.4
[M+NH4]+ 228.24342 169.9
[M+K]+ 249.17276 150.5
[M+H-H2O]+ 193.20686 145.4
[M+HCOO]- 255.20780 169.3
[M+CH3COO]- 269.22345 192.0
[M+Na-2H]- 231.18427 152.3
[M]+ 210.20905 140.1
[M]- 210.21015 140.1
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