CID 66978

111-33-1

Structural Information

Molecular Formula
C5H14N2
SMILES
CNCCCNC
InChI
InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3
InChIKey
UQUPIHHYKUEXQD-UHFFFAOYSA-N
Compound name
N,N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

5532
Patents

102.1157 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.122976 122.0
[M+Na]+ 125.104918 127.9
[M-H]- 101.108424 122.3
[M+NH4]+ 120.149523 144.7
[M+K]+ 141.078858 127.9
[M+H-H2O]+ 85.112960 117.0
[M+HCOO]- 147.113901 148.1
[M+CH3COO]- 161.129551 173.8
[M+Na-2H]- 123.090366 130.0
[M]+ 102.11515142 121.3
[M]- 102.11624858 121.3
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