CID 255599

N-methylcyclododecanamine

Structural Information

Molecular Formula
C13H27N
SMILES
CNC1CCCCCCCCCCC1
InChI
InChI=1S/C13H27N/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13-14H,2-12H2,1H3
InChIKey
DPKGRPBHAYLZKC-UHFFFAOYSA-N
Compound name
N-methylcyclododecanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

197.21436 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.221636 148.4
[M+Na]+ 220.203578 148.9
[M-H]- 196.207084 147.9
[M+NH4]+ 215.248183 164.1
[M+K]+ 236.177518 148.2
[M+H-H2O]+ 180.211620 145.0
[M+HCOO]- 242.212561 165.6
[M+CH3COO]- 256.228211 181.6
[M+Na-2H]- 218.189026 150.3
[M]+ 197.21381142 136.4
[M]- 197.21490858 136.4
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