CID 20438932

3-ethylpentan-2-amine

Structural Information

Molecular Formula
C7H17N
SMILES
CCC(CC)C(C)N
InChI
InChI=1S/C7H17N/c1-4-7(5-2)6(3)8/h6-7H,4-5,8H2,1-3H3
InChIKey
AFEDQQKVLBHDNO-UHFFFAOYSA-N
Compound name
3-ethylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

115.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 129.2
[M+Na]+ 138.12532 134.7
[M-H]- 114.12882 129.0
[M+NH4]+ 133.16992 151.5
[M+K]+ 154.09926 134.8
[M+H-H2O]+ 98.133360 124.5
[M+HCOO]- 160.13430 151.0
[M+CH3COO]- 174.14995 176.0
[M+Na-2H]- 136.11077 132.3
[M]+ 115.13555 127.7
[M]- 115.13665 127.7
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