CID 21267775

2-propylheptan-1-amine

Structural Information

Molecular Formula
C10H23N
SMILES
CCCCCC(CCC)CN
InChI
InChI=1S/C10H23N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-9,11H2,1-2H3
InChIKey
SSOBBNSVCWLYPH-UHFFFAOYSA-N
Compound name
2-propylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

645
Patents

157.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.19032 142.5
[M+Na]+ 180.17226 147.0
[M-H]- 156.17576 141.6
[M+NH4]+ 175.21686 163.1
[M+K]+ 196.14620 145.8
[M+H-H2O]+ 140.18030 137.1
[M+HCOO]- 202.18124 164.3
[M+CH3COO]- 216.19689 184.3
[M+Na-2H]- 178.15771 145.3
[M]+ 157.18249 142.8
[M]- 157.18359 142.8
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