CID 75427677

1461708-61-1

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)(C)OC(=O)NC1CCCC2=C1NN=C2
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-6-4-5-8-7-13-15-10(8)9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
UNPDFDSZXIRIEB-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 156.7
[M+Na]+ 260.13694 162.2
[M-H]- 236.14044 156.7
[M+NH4]+ 255.18154 173.6
[M+K]+ 276.11088 159.7
[M+H-H2O]+ 220.14498 149.8
[M+HCOO]- 282.14592 172.9
[M+CH3COO]- 296.16157 189.7
[M+Na-2H]- 258.12239 160.9
[M]+ 237.14717 154.0
[M]- 237.14827 154.0
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.