CID 22507609

(3-ethylcyclohexyl)methanamine

Structural Information

Molecular Formula
C9H19N
SMILES
CCC1CCCC(C1)CN
InChI
InChI=1S/C9H19N/c1-2-8-4-3-5-9(6-8)7-10/h8-9H,2-7,10H2,1H3
InChIKey
MVIPLNSZVUGYOV-UHFFFAOYSA-N
Compound name
(3-ethylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

141.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 133.8
[M+Na]+ 164.14097 138.1
[M-H]- 140.14447 136.0
[M+NH4]+ 159.18557 154.9
[M+K]+ 180.11491 136.6
[M+H-H2O]+ 124.14901 128.2
[M+HCOO]- 186.14995 154.3
[M+CH3COO]- 200.16560 177.7
[M+Na-2H]- 162.12642 137.5
[M]+ 141.15120 127.9
[M]- 141.15230 127.9
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