CID 12734

N,n'-diisopropylcarbodiimide

Structural Information

Molecular Formula
C7H14N2
SMILES
CC(C)N=C=NC(C)C
InChI
InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
InChIKey
BDNKZNFMNDZQMI-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

67
References

100157
Patents

126.1157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 129.7
[M+Na]+ 149.10492 139.1
[M+NH4]+ 144.14952 137.9
[M+K]+ 165.07886 133.5
[M-H]- 125.10842 131.0
[M+Na-2H]- 147.09037 134.2
[M]+ 126.11515 131.1
[M]- 126.11625 131.1
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