CID 11506542

4-(diethylamino)phenyl isocyanide

Structural Information

Molecular Formula
C11H14N2
SMILES
CCN(CC)C1=CC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C11H14N2/c1-4-13(5-2)11-8-6-10(12-3)7-9-11/h6-9H,4-5H2,1-2H3
InChIKey
WWZBRTRCXPSQJV-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-isocyanoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

174.11569 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 144.5
[M+Na]+ 197.10491 152.9
[M-H]- 173.10841 147.4
[M+NH4]+ 192.14951 162.2
[M+K]+ 213.07885 145.6
[M+H-H2O]+ 157.11295 136.3
[M+HCOO]- 219.11389 165.0
[M+CH3COO]- 233.12954 191.1
[M+Na-2H]- 195.09036 150.3
[M]+ 174.11514 137.4
[M]- 174.11624 137.4
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