CID 559367

N-butylhexan-1-amine

Structural Information

Molecular Formula
C10H23N
SMILES
CCCCCCNCCCC
InChI
InChI=1S/C10H23N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-10H2,1-2H3
InChIKey
UYZWCDKHEOBGLW-UHFFFAOYSA-N
Compound name
N-butylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

733
Patents

157.18304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.19032 141.1
[M+Na]+ 180.17226 145.8
[M-H]- 156.17576 140.6
[M+NH4]+ 175.21686 162.1
[M+K]+ 196.14620 144.6
[M+H-H2O]+ 140.18030 135.7
[M+HCOO]- 202.18124 164.6
[M+CH3COO]- 216.19689 184.3
[M+Na-2H]- 178.15771 146.3
[M]+ 157.18249 143.1
[M]- 157.18359 143.1
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