CID 20386338

4-methylcycloheptan-1-amine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CCCC(CC1)N
InChI
InChI=1S/C8H17N/c1-7-3-2-4-8(9)6-5-7/h7-8H,2-6,9H2,1H3
InChIKey
SFEOFFIWPWOBFJ-UHFFFAOYSA-N
Compound name
4-methylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 124.2
[M+Na]+ 150.12532 127.0
[M-H]- 126.12882 127.7
[M+NH4]+ 145.16992 144.3
[M+K]+ 166.09926 130.2
[M+H-H2O]+ 110.13336 119.4
[M+HCOO]- 172.13430 144.3
[M+CH3COO]- 186.14995 176.9
[M+Na-2H]- 148.11077 128.4
[M]+ 127.13555 115.2
[M]- 127.13665 115.2
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