CID 407498

1611-57-0

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)(C)CC(C)(C)N=C=O
InChI
InChI=1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey
XOHBENIMDRFUIH-UHFFFAOYSA-N
Compound name
2-isocyanato-2,4,4-trimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

155.13101 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 137.4
[M+Na]+ 178.12023 146.7
[M+NH4]+ 173.16483 144.7
[M+K]+ 194.09417 142.0
[M-H]- 154.12373 136.5
[M+Na-2H]- 176.10568 141.2
[M]+ 155.13046 138.4
[M]- 155.13156 138.4
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