CID 11170953

2-methylpentane-1,2-diamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CCCC(C)(CN)N
InChI
InChI=1S/C6H16N2/c1-3-4-6(2,8)5-7/h3-5,7-8H2,1-2H3
InChIKey
XUDPMVLRRITCFQ-UHFFFAOYSA-N
Compound name
2-methylpentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

116.13135 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 127.5
[M+Na]+ 139.12057 133.4
[M-H]- 115.12407 126.9
[M+NH4]+ 134.16517 149.2
[M+K]+ 155.09451 132.8
[M+H-H2O]+ 99.128610 122.9
[M+HCOO]- 161.12955 150.4
[M+CH3COO]- 175.14520 175.8
[M+Na-2H]- 137.10602 133.3
[M]+ 116.13080 124.5
[M]- 116.13190 124.5
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