CID 3015838

Pentyl(propan-2-yl)amine

Structural Information

Molecular Formula
C8H19N
SMILES
CCCCCNC(C)C
InChI
InChI=1S/C8H19N/c1-4-5-6-7-9-8(2)3/h8-9H,4-7H2,1-3H3
InChIKey
QCWXZFZXEGTLOV-UHFFFAOYSA-N
Compound name
N-propan-2-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

129.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.15903 132.8
[M+Na]+ 152.14097 138.1
[M-H]- 128.14447 132.8
[M+NH4]+ 147.18557 154.9
[M+K]+ 168.11491 137.9
[M+H-H2O]+ 112.14901 127.9
[M+HCOO]- 174.14995 156.0
[M+CH3COO]- 188.16560 179.0
[M+Na-2H]- 150.12642 137.8
[M]+ 129.15120 133.4
[M]- 129.15230 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe