CID 47374

64467-42-1

Structural Information

Molecular Formula
C10H23N
SMILES
CCCC(CCC)(C(C)C)N
InChI
InChI=1S/C10H23N/c1-5-7-10(11,8-6-2)9(3)4/h9H,5-8,11H2,1-4H3
InChIKey
GRGRWEXSHIGJQM-UHFFFAOYSA-N
Compound name
4-propan-2-ylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

157.18304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.190316 142.0
[M+Na]+ 180.172258 146.9
[M-H]- 156.175764 141.4
[M+NH4]+ 175.216863 162.8
[M+K]+ 196.146198 146.1
[M+H-H2O]+ 140.180300 137.3
[M+HCOO]- 202.181241 162.3
[M+CH3COO]- 216.196891 184.6
[M+Na-2H]- 178.157706 145.4
[M]+ 157.18249142 141.8
[M]- 157.18358858 141.8
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