CID 55253039

1-isocyano-4-methoxy-2-methylbenzene

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1=C(C=CC(=C1)OC)[N+]#[C-]
InChI
InChI=1S/C9H9NO/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1,3H3
InChIKey
ZZQRRPGBKQIJDG-UHFFFAOYSA-N
Compound name
1-isocyano-4-methoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 134.1
[M+Na]+ 170.05764 144.9
[M-H]- 146.06114 136.8
[M+NH4]+ 165.10224 153.0
[M+K]+ 186.03158 137.4
[M+H-H2O]+ 130.06568 127.2
[M+HCOO]- 192.06662 154.4
[M+CH3COO]- 206.08227 181.0
[M+Na-2H]- 168.04309 141.1
[M]+ 147.06787 127.7
[M]- 147.06897 127.7
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

No patent data available for this compound.