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

92
Patents

115.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.143376 129.2
[M+Na]+ 138.125318 134.7
[M-H]- 114.128824 129.0
[M+NH4]+ 133.169923 151.5
[M+K]+ 154.099258 134.8
[M+H-H2O]+ 98.133360 124.5
[M+HCOO]- 160.134301 151.0
[M+CH3COO]- 174.149951 176.0
[M+Na-2H]- 136.110766 132.3
[M]+ 115.13555142 127.7
[M]- 115.13664858 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