CID 76888

N-isopropyl-1,3-propanediamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(C)NCCCN
InChI
InChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3
InChIKey
KFDIDIIKNMZLRZ-UHFFFAOYSA-N
Compound name
N'-propan-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1644
Patents

116.13135 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 128.0
[M+Na]+ 139.12057 133.2
[M-H]- 115.12407 127.7
[M+NH4]+ 134.16517 149.8
[M+K]+ 155.09451 133.0
[M+H-H2O]+ 99.128610 122.8
[M+HCOO]- 161.12955 152.1
[M+CH3COO]- 175.14520 177.0
[M+Na-2H]- 137.10602 133.0
[M]+ 116.13080 125.9
[M]- 116.13190 125.9
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