CID 4594009

1-tert-butyl-3-ethylcarbodiimide

Structural Information

Molecular Formula
C7H14N2
SMILES
CCN=C=NC(C)(C)C
InChI
InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
InChIKey
AXTNYCDVWRSOCU-UHFFFAOYSA-N
Compound name
N'-tert-butyl-N-ethylmethanediimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1200
Patents

126.1157 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 127.7
[M+Na]+ 149.10492 135.0
[M-H]- 125.10842 131.1
[M+NH4]+ 144.14952 151.2
[M+K]+ 165.07886 135.5
[M+H-H2O]+ 109.11296 122.8
[M+HCOO]- 171.11390 155.1
[M+CH3COO]- 185.12955 181.7
[M+Na-2H]- 147.09037 136.4
[M]+ 126.11515 129.5
[M]- 126.11625 129.5
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