CID 79532

5448-29-3

Structural Information

Molecular Formula
C7H18N2
SMILES
CC(C)NCC(C)(C)N
InChI
InChI=1S/C7H18N2/c1-6(2)9-5-7(3,4)8/h6,9H,5,8H2,1-4H3
InChIKey
BVVNMQQFLWWRFT-UHFFFAOYSA-N
Compound name
2-methyl-1-N-propan-2-ylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

130.147 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.15428 132.2
[M+Na]+ 153.13622 137.6
[M-H]- 129.13972 132.1
[M+NH4]+ 148.18082 153.7
[M+K]+ 169.11016 137.5
[M+H-H2O]+ 113.14426 127.6
[M+HCOO]- 175.14520 154.5
[M+CH3COO]- 189.16085 180.4
[M+Na-2H]- 151.12167 137.4
[M]+ 130.14645 130.0
[M]- 130.14755 130.0
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

No patent data available for this compound.