CID 7018273

745783-84-0

Structural Information

Molecular Formula
C6H11NO
SMILES
C[C@H](C(C)C)N=C=O
InChI
InChI=1S/C6H11NO/c1-5(2)6(3)7-4-8/h5-6H,1-3H3/t6-/m1/s1
InChIKey
UCSWKSXDJYECKQ-ZCFIWIBFSA-N
Compound name
(2R)-2-isocyanato-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

113.08406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 123.1
[M+Na]+ 136.073278 130.1
[M-H]- 112.076784 125.1
[M+NH4]+ 131.117883 146.3
[M+K]+ 152.047218 131.0
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.082261 148.1
[M+CH3COO]- 172.097911 175.8
[M+Na-2H]- 134.058726 128.5
[M]+ 113.08351142 124.2
[M]- 113.08460858 124.2
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