CID 55285912

(1-methylcycloheptyl)methanamine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1(CCCCCC1)CN
InChI
InChI=1S/C9H19N/c1-9(8-10)6-4-2-3-5-7-9/h2-8,10H2,1H3
InChIKey
UAUZBQBZKWBDDW-UHFFFAOYSA-N
Compound name
(1-methylcycloheptyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

141.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 129.3
[M+Na]+ 164.14097 131.6
[M-H]- 140.14447 132.6
[M+NH4]+ 159.18557 150.3
[M+K]+ 180.11491 134.2
[M+H-H2O]+ 124.14901 124.5
[M+HCOO]- 186.14995 148.9
[M+CH3COO]- 200.16560 178.3
[M+Na-2H]- 162.12642 134.4
[M]+ 141.15120 120.4
[M]- 141.15230 120.4
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