CID 5829

51-80-9

Structural Information

Molecular Formula
C5H14N2
SMILES
CN(C)CN(C)C
InChI
InChI=1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3
InChIKey
VGIVLIHKENZQHQ-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethylmethanediamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

8335
Patents

102.1157 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.122976 122.4
[M+Na]+ 125.104918 128.6
[M-H]- 101.108424 125.8
[M+NH4]+ 120.149523 146.5
[M+K]+ 141.078858 131.5
[M+H-H2O]+ 85.112960 117.0
[M+HCOO]- 147.113901 149.5
[M+CH3COO]- 161.129551 181.0
[M+Na-2H]- 123.090366 128.9
[M]+ 102.11515142 124.2
[M]- 102.11624858 124.2
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