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

24
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 124.2
[M+Na]+ 150.125318 127.0
[M-H]- 126.128824 127.7
[M+NH4]+ 145.169923 144.3
[M+K]+ 166.099258 130.2
[M+H-H2O]+ 110.133360 119.4
[M+HCOO]- 172.134301 144.3
[M+CH3COO]- 186.149951 176.9
[M+Na-2H]- 148.110766 128.4
[M]+ 127.13555142 115.2
[M]- 127.13664858 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