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

No literature data available for this compound.

Patent stripe

patents stripe