CID 60037003

(1-ethylcyclopentyl)methanamine

Structural Information

Molecular Formula
C8H17N
SMILES
CCC1(CCCC1)CN
InChI
InChI=1S/C8H17N/c1-2-8(7-9)5-3-4-6-8/h2-7,9H2,1H3
InChIKey
OTQXRFMVYKTLAT-UHFFFAOYSA-N
Compound name
(1-ethylcyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 129.3
[M+Na]+ 150.125318 135.0
[M-H]- 126.128824 131.9
[M+NH4]+ 145.169923 154.5
[M+K]+ 166.099258 133.8
[M+H-H2O]+ 110.133360 124.7
[M+HCOO]- 172.134301 152.4
[M+CH3COO]- 186.149951 172.9
[M+Na-2H]- 148.110766 134.2
[M]+ 127.13555142 125.1
[M]- 127.13664858 125.1
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